| PDB CCD ID: | W5X |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H22 Cl F N4 O |
| InChI: | InChI=1S/C19H22ClFN4O/c1-23-7-13-14(8-23)15(13)9-25(19(26)18-10-24(2)11-22-18)6-12-3-4-17(21)16(20)5-12/h3-5,10-11,13-15H,6-9H2,1-2H3/t13-,14+,15- |
| InChIKey: | KYLOBHXXQOZRKK-QDMKHBRRSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | Cn1cc(nc1)C(=O)N(Cc2ccc(c(c2)Cl)F)CC3[C@H]4[C@@H]3CN(C4)C | | OpenEye OEToolkits 2.0.7 | Cn1cc(nc1)C(=O)N(Cc2ccc(c(c2)Cl)F)CC3C4C3CN(C4)C | | CACTVS 3.385 | CN1C[CH]2[CH](C1)C2CN(Cc3ccc(F)c(Cl)c3)C(=O)c4cn(C)cn4 | | CACTVS 3.385 | CN1C[C@@H]2[C@H](C1)C2CN(Cc3ccc(F)c(Cl)c3)C(=O)c4cn(C)cn4 |
|
| Name: | PF-3463275;
~{N}-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-1-methyl-~{N}-[[(1~{R},5~{S})-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazole-4-carboxamide |
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